⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25884552 | 0.78 | — | — | |
| SCHEMBL21393842 | 0.75 | — | — | |
| SCHEMBL2310070 | 0.71 | — | — | |
| SCHEMBL24799948 | 0.68 | — | — | |
| SCHEMBL15290663 | 0.67 | — | — | |
| SCHEMBL9211786 | 0.66 | — | — | |
| SCHEMBL22779510 | 0.66 | — | — | |
| SCHEMBL1304042 | 0.62 | — | — | |
| SCHEMBL11312104 | 0.61 | — | — | |
| SCHEMBL11580747 | 0.60 | PSMB5 (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019182925-A1 | OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | GENENTECH, INC. (US) | 2019-09-26 | — | — | WO | disclosed |